9-[3,5-bis(6-bromohexoxy)phenyl]carbazole

C30H35Br2NO2 — CID 156781144

IUPAC9-[3,5-bis(6-bromohexoxy)phenyl]carbazole
SMILESBrCCCCCCOc1cc(OCCCCCCBr)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H35Br2NO2/c31-17-9-1-3-11-19-34-25-21-24(22-26(23-25)35-20-12-4-2-10-18-32)33-29-15-7-5-13-27(29)28-14-6-8-16-30(28)33/h5-8,13-16,21-23H,1-4,9-12,17-20H2
InChIKeyYJQFEGROGBXQES-UHFFFAOYSA-N
MW601.42 g/mol
LogP9.45
Rot. Bonds15

About 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole

9-[3,5-bis(6-bromohexoxy)phenyl]carbazole (PubChem CID 156781144) has the molecular formula C30H35Br2NO2 and a molecular weight of 601.42 g/mol. Its IUPAC name is 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole.

Molecular Properties

Compound Name9-[3,5-bis(6-bromohexoxy)phenyl]carbazole
PubChem CID156781144
Molecular FormulaC30H35Br2NO2
Molecular Weight601.42 g/mol
Exact Mass599.10
IUPAC Name9-[3,5-bis(6-bromohexoxy)phenyl]carbazole
SMILESBrCCCCCCOc1cc(OCCCCCCBr)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H35Br2NO2/c31-17-9-1-3-11-19-34-25-21-24(22-26(23-25)35-20-12-4-2-10-18-32)33-29-15-7-5-13-27(29)28-14-6-8-16-30(28)33/h5-8,13-16,21-23H,1-4,9-12,17-20H2
InChIKeyYJQFEGROGBXQES-UHFFFAOYSA-N
XLogP9.45
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.42
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole?
The IUPAC name of 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole (CID 156781144) is 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole.
What is the SMILES notation for 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole?
The canonical SMILES for 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole is BrCCCCCCOc1cc(OCCCCCCBr)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole?
The InChIKey is YJQFEGROGBXQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35Br2NO2/c31-17-9-1-3-11-19-34-25-21-24(22-26(23-25)35-20-12-4-2-10-18-32)33-29-15-7-5-13-27(29)28-14-6-8-16-30(28)33/h5-8,13-16,21-23H,1-4,9-12,17-20H2.
What are the key properties of 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole?
9-[3,5-bis(6-bromohexoxy)phenyl]carbazole has a molecular weight of 601.42 g/mol, XLogP of 9.45, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(6-bromohexoxy)phenyl]carbazole is sourced from PubChem (CID 156781144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).